SCHEMBL18868550

SCHEMBL18868550

Cc1cc2c(c(Cl)c1C=O)CCN(C(=O)c1cc3ccccn3c1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ITGB2 P05107 3/20 0.35
▸ ICAM1 P05362 3/20 0.35
▸ ITGAL P20701 3/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18867998 0.82 HDAC6 (0.39) NPSR1HTTHDAC6CYP3A4CYP2C9
SCHEMBL18362337 0.78 HDAC6 (0.46) HDAC6ITGB2ICAM1ITGAL
SCHEMBL13894120 0.74 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL18867982 0.71 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL22615579 0.65 MTHFD2 (0.40) CHRNA7
SCHEMBL22615401 0.65 AURKA (0.39) LMNAKMT2AHPGDALDH1A1
SCHEMBL23176589 0.65 HDAC6 (0.42) HTTHDAC6LMNAHPGDITGB2
SCHEMBL23979102 0.64 ITGB2 (0.58) HDAC6ITGB2ICAM1ITGAL
SCHEMBL18867799 0.64 ITGB2 (0.55) CYP2C9ITGB2ICAM1ITGAL
SCHEMBL20439976 0.64 POLB (0.50) HTTLMNARECQLCYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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